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Abstract: The possible existence of low-density and high-density fluid phase equilibria in fluids with a simple potential consisting in a combination of a square shoulder and a square well is explored by means of perturbation theory and histogram-reweighting grand canonical Monte Carlo simulation. Theory is useful as a simple and computationally inexpensive way to explore large sets of potential parameters to search for potential shapes susceptible to present multiple fluid phases, later confirmed or discarded from computer simulation. It is found that some combinations of the length and energy parameters of the potential actually give rise to such behaviour.
Fuente: Molecular Physics, 2024, 122(21-22), e2356756
Publisher: Taylor and Francis Ltd.
Year of publication: 2024
No. of pages: 8
Publication type: Article
DOI: 10.1080/00268976.2024.2356756
ISSN: 0026-8976,1362-3028
Publication Url: https://doi.org/10.1080/00268976.2024.2356756
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JULIO LARGO MAESO
JOSE RAMON SOLANA QUIROS
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